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127744-44-9 | Propanedioic acid, 2-hydroxy-2-(1-methyl-1H-indol-3-yl)-, 1,3-diethyl ester
CAS No: 127744-44-9 Catalog No: AG000XDT MDL No:
Product Description
Catalog Number:
AG000XDT
Chemical Name:
Propanedioic acid, 2-hydroxy-2-(1-methyl-1H-indol-3-yl)-, 1,3-diethyl ester
CAS Number:
127744-44-9
Molecular Formula:
C16H19NO5
Molecular Weight:
305.3258
IUPAC Name:
diethyl 2-hydroxy-2-(1-methylindol-3-yl)propanedioate
InChI:
InChI=1S/C16H19NO5/c1-4-21-14(18)16(20,15(19)22-5-2)12-10-17(3)13-9-7-6-8-11(12)13/h6-10,20H,4-5H2,1-3H3
InChI Key:
WCBCPSKZHGTDRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cn(c2c1cccc2)C)(C(=O)OCC)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.33g/mol
Monoisotopic Mass:
305.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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